Journal of the Korean Physical Society, Vol. 32, No. 4, April 1998, pp.

505512

FTIR and Polarised Raman Spectra of Acrylamide and Polyacrylamide

R. Murugan
Department of Physics, Pondicherry Engineering College, Pondicherry 605 104, India

S. Mohan
Department of Physics, Pondicherry University, Pondicherry, 605 104, India

A. Bigotto
Dipartimento Di Scienze Chimiche, Universita Degli Studi Di Trieste, Trieste, Via Valerio, 22, Italy
(Received 2 March 1998)
The Fourier Transform Infrared (FTIR) and Laser Raman spectra of acrylamide and polyacrylamide are presented. The frequencies were assigned to various fundamental modes on the basis of
normal coordinate calculations. The agreement between the observed and calculated frequencies
was good, and the assignment of the normal modes was satisfactorily realized.

I. INTRODUCTION

the former from Kodak Chemicals, USA and the latter

from Aldrich Chemicals, USA. PA gels are prepared by
co-polymerization technique and aqueous PA solutions
are prepared following Gupta et al. [2].
Unoriented sample of acrylamide was prepared as
mulls and KBr disk, N-deuteration was achieved by repeated exchanges with D2 O. The removal of D2 O was
carried out at room temperature in order to minimize
a possible sample deterioration which was reported in
literature [3]. Single crystals in the form of thin sheets
containing the a and b axes were obtained by slow evaporation of chloroform solutions.
The infrared spectra of acrylamide and acrylamide
from D2 O were recorded using Perkin-Elmer 983 G double beam grating spectrometer. The polarized infrared
spectra were measured using a wire-grid polarizer and reflecting beam-condenser. The Raman spectrum of acrylamide was obtained with a SPEX Ramalog Spectrometers using Spectra-Physics Model 171 argon ion laser
operating on the 514.5 nm line. The measurements were
carried out using standard SPEX accessories.
The FTIR spectra of PA and partially deuterated PA
film were recorded using Shimadzu 8101 Spectrophotometer. The Raman spectra of PA gel, PA solution and
solid PA were recorded using Dilor Z24 Raman Spectrometer equipped with a Spectra-Physics Model 165 argon ion laser source and the calibrated wave numbers are
accurate to within 2 cm1 .

In the last two decades, the industrial use of acrylamide and acrylamide polymer have grown enormously.
In view of the increasing importance, the structure and
conformation of polyacrylamide (PA) have received considerable attention in the recent literature. Vibrational
spectroscopy is potentially useful tool for structural analysis and deriving conformational variations. There are
several discrepancies in the assignments proposed for
acrylamide and polyacrylamide. Therefore, in an attempt to put them on a more firm basis, a through investigation on the Raman and infrared spectra have been
undertaken in the present work.
While, normal coordinate analysis of acrylamide [1,2]
and vinyl polymers [3] have been the subject of numerous
research paper, these analyses and a satisfactory interpretation of the vibrational spectra of PA are still missing. Normal coordinate treatment of PA is very essential to elucidate the relationship between the molecular
structure and vibrational spectra of this polymer. With
the aim of gaining more complete knowledge on the vibrational spectra of PA, the infrared and Raman spectra
of single crystal acrylamide, acrylamide in nujol mull,
polyacrylamide solutions, polyacrylamide gel and solid
polyacrylamide were recorded.

II. EXPERIMENTAL
Spectroscopically pure white crystalline solid acrylamide and polyacrylamide were obtained commercially,

III. NORMAL COORDINATE TREATMENT

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Journal of the Korean Physical Society, Vol. 32, No. 4, April 1998
Table 1. Selection rule for acrylamide.
Molecule
Cs
A0 17 (i.r., R)

Site
C1

Unit cell
C2h
Ag 30 (6L) (R)
Bg 30 (6L) (R)

A 24 (i.r., R)
Au 29 (5L) + Tb (i.r.)
Bu 28 (4L) + Ta,c (i.r.)

A00 7 (i.r., R)
L=Lattice modes

Fig. 1. Internal coordinates for acrylamide.

Fig. 2. Internal coordinates for polyacrylamide.

The molecular model and internal coordinates of acrylamide and polyacrylamide adopted for the normal coordinate calculation is shown in figure 1 and 2. From the
structural point of view, the acrylamide belongs to Cs
structure and the 24 fundamental vibrations fall into 17
in-plane (A0 ) and 7 out-of plane (A00 ) type. The selection
rule for acrylamide are shown in Table 1. The structural
parameters of acrylamide used in this present investigations are: C-N=1.315
A; C=O=1.243
A; C-C=1.47
A;

C=C=1.337 A; N-H=1.02 A and C-H=1.07

A. All the
bond angles were assumed to be 120 .
Earlier spectroscopic studies on PA suggests that the
preferred chain confirmation is in the form of 31 isotac-

tic helical structure. Three chemical repeat units are

involved in the translational repeat unit and the 86 optically active normal vibrations are classified under the line
group isomorphous to the point group C3 and are both
infrared and Raman active. The 28 A modes exhibit
parallel dichroism in the infrared while the 29 doubly
degenerate E modes exhibit perpendicular dichroism.
The structural parameters of polyacrylamide employed in this calculation were transferred from acrylamide, polyacrylic acid and other related structure [46].
The factor group analysis of PA is shown in Table 2.
The local symmetry coordinates of PA obtained from
the internal coordinates are shown in Table 3. Following, Tadokoro et al. [7] the symmetry coordinates were
constructed from the local symmetry coordinates.
The normal coordinate calculations were performed
using Wilsons FG matrix method using the program described previously [8] for polymers. The modifications of
the original program is based on the method detailed
by Hanon et al. [9]. The initial set of force constants
used in the normal coordinate calculations of PA were
transferred from acrylamide, polyacrylic acid and other
vinyl polymers [46] and were adjusted to obtain a good
agreement between the calculated and the observed frequencies.

IV. RESULTS AND DISCUSSION

1. Acrylamide

The recorded infrared spectra of acrylamide in KBr,

Table 2. Number of normal modes and selection rule for Polyacrylamide.

A
E

E
1
1

C13
1

C23
1
2

No. of normal modes

30-2 (Tk , Rk )
30-1 (T )

30-1 (T )

=exp i(2/3)
Tk and T : pure translations parallel and perpendicular to the helix axis
Rk : pure rotation about the helix axis
A(k ) and A( ): electric vector parallel or perpendicular to the helix axis.

Raman active
A

Infrared active
A(k)

A(k)

FTIR and Polarised Raman Spectra of Acrylamide and Polyacrylamide - R. Murugan et al.

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Table 3. Local symmetry coordinates for polyacrylamide.

S1
S2
S3
S4
S5
S6
S7
S8
S9
S10
S11
S12
S13
S14
S15
S16
S17
S18
S19
S20
S21
S22
S23
S24
S25
S26
S27
S28
S29
S30
S31
S32

21/2 (r1 r2 )
21/2 (r1 + r2 )
21/2 (r3 r4 )
21/2 (r3 + r4 )
r5
r6
61/2 (21 2 3 )
201/2 (41 2 6 5 7 )
d1
21 (2 + 6 5 7 )
61/2 (22 5 6 )
21/2 (3 2 )
21/2 (d3 d4 )
61/2 (2d2 d3 d4 )
21/2 (3 + 2 )
21/2 (3 1 )
31/2 (d2 + d3 + d4 )
21/2 (2 6 + 5 7 )
21/2 (5 6 )
21 (2 6 5 + 7 )
21/2 (3 2 )
21/2 (1 3 )
61/2 (22 1 3 )
61/2 (22 1 3 )
301/2 (54 1 2 6 5 7 )
61/2 (5 + 6 + 4 1 2 3 )
1
2
61/2 (1 + 2 + 4 + 5 + 6 + 7 ) = 0
61/2 (1 + 2 + 3 + 4 + 5 + 6 ) = 0
31/2 (1 + 2 + 3 ) = 0
31/2 (1 + 2 + 3 ) = 0

a NH2
s NH2
a CH2
s CH2
C-H
C-O
NH2
CH2
CN
CH2
CH
NH2
b C-C
a C-C
NH2
(C-NH2 )
s C-C
CH2
C-H
CH2
(C-O)
C-C
b C-C
(O-C-N)
a C-C
a C-C
C-C
C-N

redundant
coordinates

a and b - asymmetric stretching, b and a - asymmetric bending s - symmetric bending, s , symmetric stretching, wagging, t - twisting, - torsion and - rocking.

acrylamide in Nujol mull, deuterated acrylamide, single crystal acrylamide, polarised infrared spectrum of
acrylamide, infrared spectrum of acrylamide at 157 C
and Laser Raman spectrum of acrylamide are shown in
figures 38. The observed, calculated frequencies and
Potential energy Distribution (PED) for acrylamide are
shown in Table 4. The relative cartesian displacements
calculated for the out-of-plane fundamentals are shown

Fig. 3. Infrared spectrum of acrylamide in KBr.

in Fig. 9.
The assignments for the vibrational bands of acrylamide are made on the basis of the dichorism of the
infrared bands and of Raman depolarization data. Crys5
tals of acrylamide are monoclinic, space group P21 /c[C2h
]
with four molecules in the unit cell [10]. From the Ta-

Fig. 4. Infrared spectrum of acrylamide in Nujol mull

(from D2 O twice).

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Journal of the Korean Physical Society, Vol. 32, No. 4, April 1998

Fig. 5. Infrared spectrum of single crystal acrylamide.

ble 1 it is clear that each molecular fundamental should

give four components in the crystal spectrum, two being
infrared (IR) active and two Raman active. One of the
infrared (IR) active components is polarized along the b
axis, the other in the ac plane. The A0 and A00 molecular fundamentals can be discriminated on the basis of
the Raman polarization measurements of solutions. The
dicroism of the infrared bands can also give informations
about the assignment to the symmetry species, using the
oriented gas model to predict the behaviour in polarized
light. For the free molecule only the direction of the
transition moment of the A00 vibrations is fixed by symmetry and for these modes, using the atomic coordinates
given by Isakov [10], the proportionality factors for the
absorption are.

I(A00 )

a
b
c ( ab)
0.542 0.269 0.189

From these values it appears that, in the polarised

infrared spectra of the ab crystal plane, the A00 mode
should give the strongest component with the electric
vector of the light perpendicular to the b axis. Some
of the A0 modes can also show the same dichroism as
the A00 vibrations, since the direction of the transition
moment is only fixed in the molecular plane. However,
bands with a prevailing component polarized along the b
axis or with components of comparable intensity in both
polarizations can be confidently assigned to A0 modes.
On these grounds, the most part of the absorption
bands appearing below 1000 cm1 , which show a prevailing polarization along the a-axis, could be associated
to A00 vibrations. However, the polarized character of the
Raman lines found at 831,626 and 303 cm1 in solution
places totally symmetric modes at these wavenumbers

Fig. 6. Polarised Infrared spectrum of acrylamide.

Fig. 7. Infrared spectrum of acrylamide at 157 C.

and therefore only the bands at 991, 963, 819, 708, 665,
490 and 215 cm1 are plausible candidates for the assignment to A00 modes. Deuteration strongly affects the
group of bands between 820 and 650 cm1 , thus indicating that the NH2 wagging and twisting motions considerably contribute to the corresponding normal modes.
This interpretation is also supported by the observation
that these bands undergo a strong positive shift (819
830, 665682 and 708733 cm1 ) and a noticable sharpening on cooling to 157 C.
The remaining infrared bands show a dichroism consistent with the attribution to the A0 symmetry and, in
most cases this attribution is confirmed by the polarised
character of the corresponding Raman lines. The remaining vibrational assignments are shown in Table 4.
On the whole, the fit between the calculated and observed frequencies shown in Table 4 is good and the experimental facts are satisfactorily accounted for by the
force field, indicating that the force constants obtained
are reasonable.

2. Polyacrylamide

The recorded Fourier Transform infrared spectra of

polyacrylamide, deuterated polyacrylamide and Raman

Fig. 8. Laser Raman spectrum of acrylamide.

FTIR and Polarised Raman Spectra of Acrylamide and Polyacrylamide - R. Murugan et al.

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Table 4. Calculated and observed frequencies (cm1 ) and approximate potential energy of acrylamide.
Infrared frequency

Laser Raman frequency

3352 W
3180 W
3105 VS
3030 MS
3011 W
1675 W
1650 W
1612 MS
1430 VS
1353 S
1282 S
1138 VS
1053 S
831 M
626 W
510 VS

3342 W
3163 VS
3103 VW
3030 MS(P)

303 MS

303 MS(P)

991 S
963 VS
816 M
708 W
660 W
490 VS
225 W

990 W
963 W
819 W
708 W
665 W
490 MS
215 W

1685 MS(P)
1639 VS(P)
1595 VS(P)
1432 VS(P)
1350 W
1280 S(P)
1149 S(P)
1052 S(P)
831 S(P)
626 S(P)
492 MS

Calculated frequency
A0 SPECIES
3341
3227
3126
3022
3006
1690
1648
1626
1426
1330
1268
1129
1062
838
629
495
310
A00 SPECIES
1031
960
822
699
644
491
218

Vibrational assignment
a NH2
s NH2
a CH2
s CH2
CH
C=O
C=C
C-C
C-N
$ NH2
NH2
$ CH2
CH2
C-H
C-C
O=C-N

PED %

C=C-C

S1 (99)
S2 (100)
S3 (99)
S4 (98)
S5 (100)
S6 (50), S7 (21), S13 (11)
S7 (62), S6 (10), S16 (10)
S8 (60), S7 (15), S15 (10)
S9 (100)
S10 (60), S17 (17)
S11 (45), S13 (30), S16 (15)
S12 (55), S14 (30), S15 (15)
S13 (54), S15 (28), S14 (12)
S14 (60), S11 (28)
S15 (40), S6 (10)
S16 (33), S13 (20)
S10 (20), S17 (10)
S17 (40), S6 (10)

NH2
CH2
CH2
NH2
CH2
C=O
C-C

S18 (42), S22 (46)

S19 (100)
S20 (50), S18 (33)
S21 (97)
S22 (49), S18 (12), S23 (22)
S23 (41), S22 (23)
S24 (80), S22 (15)

a and s - asymmetric and symmetric stretching, - bending, - wagging, - twisting, - torsion and $ - sciscoring.

spectra of solid polyacrylamide, polyacrylamide solution

and polyacrylamide gel are shown in figures 10 and 11.
The calculated and observed frequencies along with the
potential energy distribution for PA is presented in Table
5. No remarkable differences are observed in the Raman
spectra of solid PA and the aqueous solutions, but in
gel phase, one new band appears around 1295 cm1 . As
the complete PED matrix is very complex, only the predominant terms are listed in Table 5. The assignments
for the vibrational bands of PA are made by comparison
with the infrared and Raman spectra of acrylamide and
other related polymers.
In the infrared spectrum of PA, the two strong intensity bands appearing around 3335 and 3198 cm1 are
undoubtedly associated with the N-H stretching vibrations since they are shifted to around 2550 and 2395
cm1 upon deuteration. The normal coordinate analysis on PA predicts the calculated values 3338 and 3171
cm1 corresponding to the infrared bands 3335 cm1
and 3198 cm1 are due to the asymmetric and symmetric NH2 stretching vibrations and also, these modes are
pure stretching modes as expected. The corresponding
modes in acrylamide are found at 3352 and 3180 cm1 .
The methylene group vibrations are useful to monitor
the extent of polymerization. The calculated values 2965

and 2912 cm1 corresponding to the medium intensity

Raman bands at 2958 and 2930 cm1 are assigned to
both A and E asymmetric and symmetric CH2 stretching vibrations. In MA, these modes are observed at 3105
and 3030 cm1 . The lowering of the above frequencies
in PA compared to MA is mainly due to the unsaturated linkage in MA. The weak intensity infrared band
observed at 2860 cm1 in PA and its Raman counterpart
at 2871 cm1 has been assigned to CH stretching mode
of A species.
The information about the overall structure of PA can
be obtained by closely monitoring the vibrations of amide
groups. The vibrational modes of amide groups are considerably affected by the involvement of these groups in
hydrogen bonding. The C-O stretching (amide I) vibrations occurs at 1660 cm1 in the infrared spectrum of
solid PA, the corresponding band in PA solutions is at
1670 cm1 and in MA it is observed at 1675 cm1 . According to the PED data, for this amide I band in PA,
there is a considerable contribution from C-C stretching
and NH2 deformational vibration. The difference in the
amide I band in MA and PA are due to the difference
in the strengths of intermolecular and intramolecular hydrogen bonds.
The most obvious spectral changes in the infrared

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Journal of the Korean Physical Society, Vol. 32, No. 4, April 1998

Fig. 11. Laser Raman spectrum of A. Polyacrylamide

solution B. Polyacrylamide Gel and C. Solid polyacrylamide.

Fig. 9. Out-of-plane vibrations of acrylamide.

spectra upon deuteration in PA is mainly due to the

vibrations involving amide hydrogen atoms. The normal
coordinate analysis on PA predicts the infrared bands observed at 1620 and 1600 cm1 are due to the NH2 bending (amide II band) in A and E species respectively. A
medium intensity infrared band observed at 1465 cm1 ,
is the characteristic frequency for the CH2 bending vibrations and is in close agreement with the calculated
values at 1452 cm1 for A species.
The medium intensity band observed at 1436 cm1 in
Raman and 1426 cm1 in infrared has been assigned to
C-N stretching (amide III) vibrations of the A species.
The corresponding amide III band in MA is found around
1430 cm1 . The medium intensity infrared band observed at 1375 and 1367 cm1 have been assigned to
CH2 wagging vibrations in A and E species respectively.
The PED obtained for this mode shows that there is a
considerable contribution from (CH)2 stretching and CC stretching to this mode.
The Raman spectrum of PA shows several bands of
medium or weak intensity in the range 1200800 cm1 .
Bands observed at 1182, 1121, 1172, 1104 and 1022 cm1

in the Raman spectrum of PA are particularly interesting in view of their large variation in intensity attributed
to differences in the degree of crystallinity, tacticity or
proportion of helical structure. There are two fundamental C-C stretching vibration for a MA at 1650 and 1612
cm1 . In PA, the calculated values 1171 and 1120 cm1
corresponding to 1176 and 1125 cm1 infrared bands are
due to C-C stretching in A species.
The weak intensity infrared bands observed at 998 and
987 cm1 have been assigned to rocking mode of NH2
group in A and E species respectively. The medium intensity infrared band observed at 974 cm1 has been assigned to C-NH2 wagging mode and this mode remains
essentially unchanged from going to solid polymer to
aqueous solution to cross linked gel. Proceeding towards
the lower frequencies, C-C and C-N torsional modes are
calculated at 99 and 201 cm1 in A species and 101 and
195 cm1 in E species respectively.
Thus, the vibrational assignments for the Raman and
infrared spectra of PA, its aqueous solution and its covalently cross linked gel in the region 4000200 cm1 are
discussed on the basis of a comparison with the spectra
of related polymer structure and MA. On the basis of
isotactic helical structure, the 86 normal modes of PA
are assigned satisfactorily with the help of normal coordinate analysis.
ACKNOWLEDGMENTS
One of the authors (R. M.) expresses his thanks to
CSIR and DST, NEW DELHI and PEC,
PONDICHERRY for providing financial assistance to
present this work at 3rd AISAMP.
REFERENCES

Fig. 10. Infrared spectra of polyacrylamide and deuterated

polyacrylamide.

[1] G. Raman Rao and K. Venkata Ramiah, Indian J. Pure

and Appl. Phys. 19, 593 (1981).
[2] Y. Anjaneyulu, Krishnan Lal and H. L. Bhatnagar, J.
Indian Chem. Soc. 65, 400 (1988).
[3] V. J. Schurz, H. Bayzer and H. Stubchen, Makromo.
Chem. 23, 152 (1957).

FTIR and Polarised Raman Spectra of Acrylamide and Polyacrylamide - R. Murugan et al.

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Table 5. Calculated and observed frequencies (cm1 ) and approximate potential energy distribution of polyacrylamide.
Calculated
frequency

Observed frequency
Raman
Infrared

3338
3171
2965
2912
2856
1651
1614
1452
1422
1340
1321
1208
1171
1120
984
968
902
821
780
651
626
614
471
441
311
242
201
99

3325 W
3182 VS
2958 M
2930 M
2871 W
1658 M
1622 MS
1456 M
1436 M
1346 M
1331 W
1210 W
1182 M
1121 M
990 W
971 W
906 M
834 W
795 W
658 W
640 M
620 W
479 S
456 W
320 W
253 W

3338
3171
2962
2918
2855
1651
1590
1442
1416
1352
1321
1204
1161
1092
1017
980
942
869
802
758
641
619
602
458
402
282
262
195
101

3325
3182
2958
2930
2871
1658
1599
1456
1433

A SPECIES
3335 VS
3198 VS
2950 M
2910 W
2860 VW
1660 VS
1620 S
1465 M
1426 M
1375 W
1325 W
1225 W
1176 M
1125 M
998 M
974 M
900 VW
825 M
798 VW
660 VW
630 M
622 S
486 M
452 W
318 VW
259 M

111 W
W
VS
M
M
W
M
M
M
M

1331 W
1172 VW
1104 S
1022 VW
951
886
810
764
650
630

W
VW
W
M
VW
VVW

E SPECIES
3335 VS
3198 VS
2950 M
2910 W
2860 VW
1660 VS
1600 W
1465 M
1420 W
1367 M
1325 M
1215 W
1095 W
1029 VVW
987 VW
954 M
878 M
812 W
775 W
635 W
620 M

472 M
290
275
176
111

VVW
VW
VVW
W

412 W
296 VW
265 W

Type of
vibration

% PED

a NH2
s NH2
a CH2
s CH2
CH
C-O
NH2
CH2
C-N
CH2
CH
NH2
b CC
a CC
NH2
(C-NH2 )
s C-C
(CH2 )
(C-H)
(C-H2 )
(C-O)
C-C
b C-C
a (O-C-N)
a C-C
b C-C
C-N
C-C

81S1
85S2
88S3
79S4 , 12S10
86S5
59S6 , 16S7 , 10S13
62S7 , 12S1
68S8 , 18S2
65S9 , 20S13
55S10 , 16S13 , 10S17
61S11 , 24S5 , 11S8
48S12 , 28S9 , 18S17
87S13
92S14
48S15 , 22S1 , 16S7
38S16 , 24S7 , 21S8
84S17
41S18 , 22S4 , 21S8
39S19 , 30S8 , 18S4
31S20 , 28S4 , 19S18
39S21 , 30S8 , 18S4
42S22 , 26S3 , 20S13
35S23 , 27S13
31S24 , 30S14
42S25 , 28S5 , 11S8
44S26 , 30S8
42S27 , 19S9
41S28 , 26S17 , 15S6

a NH2
s NH2
a CH2
s CH2
CH
C-O
NH2
CH2
C-N
CH2
CH
NH2
b CC
b CC
a CC
NH2
(C-NH2 )
s CC
CH2
C-H
CH2
C-O
C-C
b C-C
a O-C-N
a C-C
a C-C
C-N
C-C

78S1
82S2
88S3
94S4
92S5
88S6 , 20S7 , 12S13
64S7 , 15S1
66S8 , 22S2
85S9
51S10 , 24S5 , 20S4
44S11 , 28S8 , 22S5
42S12 , 29S4 , 20S9
84S13
86S14
88S15
61S16 , 32S7
41S17 , 15S7 , 20S12
84S18
44S19 , 24S3 , 20S13
31S20 , 18S4 , 24S15
32S21 , 20S11 , 28S13
36S22 , 22S9 , 24S14
38S23 , 29S5 , 22S13
32S24 , 28S19 , 28S14
30S25 , 25S4 , 20S15
38S26 , 30S11 , 25S13
32S27 , 28S8 , 24S15
45S28 , 16S9
30S29 , 26S7 , 20S13

Abbreviations used: S, strong; M, medium; W, weak; VW, very weak; VVW, very very weak; MS, medium strong; VS,
very strong; a , asym. stretch; s , sym. stretch; , deformation; , wagging and , torsion.

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Journal of the Korean Physical Society, Vol. 32, No. 4, April 1998

[5] R. A. Kydd and A. R. C. Dunham, J. Mol. Struct. 69,

79 (1980).
[6] J. Jonathan, J. Mol. Spectrosc. 6, 205 (1961).
[7] L. Bardet, G. Cassanas-Fabre and M. Alain, J. Mol.
Struct. 24, 153 (1975).
[8] K. Holland-Moritz, E. Sausen, P. Djudovic, M. M. Coleman and P. C. Painter, J. Polymer Sci. Polymer Phys.
Edn. 17, 25 (1979).
[9] H. Tadokoro, M. Kobayashi, M. Ukita, K. Yasufuku and

S. Murahashi, J. Chem. Phys. 42, 1482 (1965).

[10] D. J. Christen, J. Mol. Struct. 48, 101 (1978).
[11] M. J. Hanon, F. J. Boerio and J. L. Koenig, J. Chem.
Phys. 50, 2829 (1969).
[12] I. V. Isakov, Z. Stukt. Khim. 7, 898 (1966).
[13] N. B. Colthup, L. H. Daly and S. E. Wilberly, Introduction to Infrared and Raman Spectroscopy (Academic
press, Boston, 1988), p. 250.